Water → HCID 66611854, compound

HRID 670005Notes

Reaction equation

HRID 670005 reaction equation
[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][N:8]([c:9]2[n:10][c:11](-[c:16]3[c:17]([NH:23][c:24]4[cH:25][cH:26][c:27]([NH2:30])[n:28][cH:29]4)[n:18][cH:19][c:20]([Cl:22])[cH:21]3)[n:12][c:13]([CH3:15])[n:14]2)[CH2:31][c:32]2[cH:33][cH:34][c:35]([O:38][CH3:39])[cH:36][cH:37]2)[cH:40][cH:41]1.[CH3:42][CH2:43][N:44]([CH2:45][CH3:46])[CH2:47][CH3:48].[Cl:49][C:50](=[O:51])[O:52][CH3:53].[Cl:55][CH2:56][Cl:57].[OH2:54]>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][N:8]([c:9]2[n:10][c:11](-[c:16]3[c:17]([NH:23][c:24]4[cH:25][cH:26][c:27]([NH:30][C:50](=[O:51])[O:52][CH3:53])[n:28][cH:29]4)[n:18][cH:19][c:20]([Cl:22])[cH:21]3)[n:12][c:13]([CH3:15])[n:14]2)[CH2:31][c:32]2[cH:33][cH:34][c:35]([O:38][CH3:39])[cH:36][cH:37]2)[cH:40][cH:41]1

Participants

6

Reactant 5

HCID 962WaterHCID 6344DichloromethaneHCID 6586Methyl chloroformateHCID 8471TriethylamineHCID 66612096HCID 66612096, compound

Product 1

HCID 66611854HCID 66611854, compound

Sources & evidence

ORD record
ord-64befb9bf01341bb9be478ac661ea215
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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