Water → HCID 178489013, compound

HRID 180843Notes

Reaction equation

HRID 180843 reaction equation
[CH:53]([N:54]([CH2:55][CH3:56])[CH:57]([CH3:58])[CH3:59])([CH3:60])[CH3:61].[NH2:21][CH:22]([C:23](=[O:24])[NH:25][CH:26]([C:27](=[O:28])[NH:29][c:30]1[cH:31][cH:32][c:33]([Br:36])[cH:34][cH:35]1)[CH:37]([CH3:38])[c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1)[c:45]1[cH:46][cH:47][c:48]([O:51][CH3:52])[cH:49][cH:50]1.[O:1]=[C:2]([Cl:3])[O:4][C:5]([Cl:6])([Cl:7])[Cl:8].[O:62]1[CH2:63][CH2:64][CH2:65][CH2:66]1.[O:9]1[CH2:10][CH2:11][CH2:12][CH2:13]1.[OH2:67].[c:14]1([CH3:15])[cH:16][cH:17][cH:18][cH:19][cH:20]1>>[O:1]=[C:2]1[NH:21][CH:22]([c:45]2[cH:46][cH:47][c:48]([O:51][CH3:52])[cH:49][cH:50]2)[C:23](=[O:24])[N:25]1[CH:26]([C:27](=[O:28])[NH:29][c:30]1[cH:31][cH:32][c:33]([Br:36])[cH:34][cH:35]1)[CH:37]([CH3:38])[c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1

Participants

7

Reactant 6

HCID 962WaterHCID 1140TolueneHCID 8028Tetrahydrofuran2×HCID 10426DiphosgeneHCID 81531DiisopropylethylamineHCID 178491219HCID 178491219, compound

Product 1

HCID 178489013HCID 178489013, compound

Sources & evidence

ORD record
ord-a9c87dca9e3d4da4a9d58b4c4257ee9e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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