Dichloromethane → HCID 68461104, compound

HRID 1136495Notes

Reaction equation

HRID 1136495 reaction equation
[C:30]([CH3:31])([CH3:32])([CH3:33])[O:34][C:35](=[O:36])[N:37]1[CH:38]([CH2:42][C:43](=[O:44])[OH:45])[CH2:39][CH2:40][CH2:41]1.[CH2:55]([Cl:56])[Cl:57].[CH:46]([N:47]([CH:48]([CH3:49])[CH3:50])[CH2:51][CH3:52])([CH3:53])[CH3:54].[s:1]1[n:2][c:3]([NH:10][CH2:11][CH2:12][CH2:13][NH:14][CH2:15][c:16]2[cH:17][cH:18][c:19](-[c:22]3[cH:23][cH:24][c:25]([O:28][CH3:29])[cH:26][cH:27]3)[cH:20][cH:21]2)[c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2>>[s:1]1[n:2][c:3]([NH:10][CH2:11][CH2:12][CH2:13][N:14]([CH2:15][c:16]2[cH:17][cH:18][c:19](-[c:22]3[cH:23][cH:24][c:25]([O:28][CH3:29])[cH:26][cH:27]3)[cH:20][cH:21]2)[C:43]([CH2:42][CH:38]2[N:37]([C:35]([O:34][C:30]([CH3:31])([CH3:32])[CH3:33])=[O:36])[CH2:41][CH2:40][CH2:39]2)=[O:44])[c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2

Participants

5

Reactant 4

HCID 6344DichloromethaneHCID 81531DiisopropylethylamineHCID 40183572-{1-[(Tert-butoxy)carbonyl]pyrrolidin-2-yl}acetic acidHCID 58726830N1-(benzo[d]isothiazol-3-yl)-N3-((4'-methoxybiphenyl-4-yl)methyl)propane-1,3-diamine

Product 1

HCID 68461104HCID 68461104, compound

Sources & evidence

ORD record
ord-c235c90dd4df4fe2928a3b7eee7198f0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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