Dichloromethane → N-[(1-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)methyl]-4-(5-cyano-7-isopropyl-1,3-benzoxazol-2-yl)benzamide

HRID 164203Notes

Reaction equation

HRID 164203 reaction equation
[C:48](#[N:49])[c:50]1[cH:51][c:52]([CH:68]([CH3:69])[CH3:70])[c:53]2[c:54]([n:55][c:56](-[c:58]3[cH:59][cH:60][c:61]([C:62](=[O:63])[OH:64])[cH:65][cH:66]3)[o:57]2)[cH:67]1.[CH:39]([N:40]([CH:41]([CH3:42])[CH3:43])[CH2:44][CH3:45])([CH3:46])[CH3:47].[Cl:71][CH2:72][Cl:73].[NH2:15][CH2:16][CH:17]1[CH2:18][CH2:19][c:20]2[c:21]([cH:24][c:25]([NH2:28])[cH:26][cH:27]2)[CH2:22][CH2:23]1.[NH2:1][CH2:2][CH:3]1[CH2:4][CH2:5][c:6]2[c:7]([c:10]([NH2:14])[cH:11][cH:12][cH:13]2)[CH2:8][CH2:9]1.[OH:29][n:30]1[c:31]2[cH:32][cH:33][cH:34][cH:35][c:36]2[n:37][n:38]1>>[NH2:15][CH2:16][CH:17]1[CH2:18][CH2:19][c:20]2[c:21]([cH:24][c:25]([NH2:28])[cH:26][cH:27]2)[CH2:22][CH2:23]1.[NH:1]([CH2:2][CH:3]1[CH2:4][CH2:5][c:6]2[c:7]([c:10]([NH2:14])[cH:11][cH:12][cH:13]2)[CH2:8][CH2:9]1)[C:62]([c:61]1[cH:60][cH:59][c:58](-[c:56]2[n:55][c:54]3[c:53]([c:52]([CH:68]([CH3:69])[CH3:70])[cH:51][c:50]([C:48]#[N:49])[cH:67]3)[o:57]2)[cH:66][cH:65]1)=[O:63]

Participants

8

Reactant 6

HCID 6344DichloromethaneHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 573699454-(5-Cyano-7-isopropylbenzo[d]oxazol-2-yl)benzoic acidHCID 684101847-(aminomethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-amineHCID 684114377-(aminomethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-1-amine

Product 2

HCID 59435939N-[(1-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)methyl]-4-(5-cyano-7-isopropyl-1,3-benzoxazol-2-yl)benzamideHCID 684101847-(aminomethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-amine

Sources & evidence

ORD record
ord-bbb9455391824b939cb89eef00f09694
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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