Water → HCID 11498105, compound

HRID 2328079Notes

Reaction equation

HRID 2328079 reaction equation
[CH3:55][c:56]1[cH:57][cH:58][cH:59][cH:60][cH:61]1.[CH:45]([N:46]([CH2:47][CH3:48])[CH:49]([CH3:50])[CH3:51])([CH3:52])[CH3:53].[Cl:1][C:2]([Cl:3])=[O:4].[Cl:62][CH2:63][Cl:64].[F:5][C:6]([c:7]1[cH:8][c:9]([CH:17]([CH2:18][OH:19])[NH:20][CH2:21][c:22]2[c:23](-[c:32]3[c:33]([O:41][CH3:42])[cH:34][cH:35][c:36]([CH:38]([CH3:39])[CH3:40])[cH:37]3)[cH:24][cH:25][c:26]([C:28]([F:29])([F:30])[F:31])[cH:27]2)[cH:10][c:11]([C:13]([F:14])([F:15])[F:16])[cH:12]1)([F:43])[F:44].[OH2:54]>>[C:2]1(=[O:4])[O:19][CH2:18][CH:17]([c:9]2[cH:8][c:7]([C:6]([F:5])([F:43])[F:44])[cH:12][c:11]([C:13]([F:14])([F:15])[F:16])[cH:10]2)[N:20]1[CH2:21][c:22]1[c:23](-[c:32]2[c:33]([O:41][CH3:42])[cH:34][cH:35][c:36]([CH:38]([CH3:39])[CH3:40])[cH:37]2)[cH:24][cH:25][c:26]([C:28]([F:29])([F:30])[F:31])[cH:27]1

Participants

7

Reactant 6

HCID 962WaterHCID 1140TolueneHCID 6344DichloromethaneHCID 6371PhosgeneHCID 81531DiisopropylethylamineHCID 86603402HCID 86603402, compound

Product 1

HCID 11498105HCID 11498105, compound

Sources & evidence

ORD record
ord-8bac0046203b4281b646f8da72282ce0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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