Acetonitrile → HCID 10458706, compound

HRID 685428Notes

Reaction equation

HRID 685428 reaction equation
[Br:1][CH2:2][CH2:3][C:4](=[O:5])[NH:6][c:7]1[s:8][c:9](-[c:13]2[n:14][c:15]([NH:19][c:20]3[cH:21][cH:22][c:23]([Cl:26])[cH:24][cH:25]3)[n:16][cH:17][cH:18]2)[c:10]([CH3:12])[n:11]1.[CH3:71][C:72]#[N:73].[Cl:62][CH2:63][CH2:64][N:65]1[CH2:66][CH2:67][O:68][CH2:69][CH2:70]1.[NH2:36][CH2:37][CH2:38][C:39]([NH:40][c:41]1[s:42][c:43](-[c:44]2[cH:45][cH:46][n:47][c:48]([NH:49][c:50]3[cH:51][cH:52][c:53]([Cl:54])[cH:55][cH:56]3)[n:57]2)[c:58]([CH3:59])[n:60]1)=[O:61].[O:27]1[CH2:28][CH2:29][N:30]([CH2:33][CH2:34][NH2:35])[CH2:31][CH2:32]1>>[CH2:2]([CH2:3][C:4](=[O:5])[NH:6][c:7]1[s:8][c:9](-[c:13]2[n:14][c:15]([NH:19][c:20]3[cH:21][cH:22][c:23]([Cl:26])[cH:24][cH:25]3)[n:16][cH:17][cH:18]2)[c:10]([CH3:12])[n:11]1)[NH:35][CH2:34][CH2:33][N:30]1[CH2:29][CH2:28][O:27][CH2:32][CH2:31]1

Participants

6

Reactant 5

HCID 6342AcetonitrileHCID 767274-(2-Chloroethyl)morpholineHCID 4082852-MorpholinoethylamineHCID 86600462HCID 86600462, compoundHCID 86600463HCID 86600463, compound

Product 1

HCID 10458706HCID 10458706, compound

Sources & evidence

ORD record
ord-5443e63464c145f2a11b17363d3266e7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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