Water → HCID 23654235, compound

HRID 2338873Notes

Reaction equation

HRID 2338873 reaction equation
[CH:1]([CH3:2])([CH3:3])[N:4]=[C:5]=[O:6].[CH:7]1([c:13]2[cH:14][cH:15][c:16]([O:39][CH3:40])[c:17](-[c:19]3[n:20][c:21]([NH:24][C:25](=[O:26])[N:27]4[CH2:28][CH2:29][N:30]([CH:33]5[CH2:34][NH:35][CH2:36][CH2:37][CH2:38]5)[CH2:31][CH2:32]4)[s:22][cH:23]3)[cH:18]2)[CH2:8][CH2:9][CH2:10][CH2:11][CH2:12]1.[Cl:41][CH2:42][Cl:43].[OH2:44]>>[CH:1]([CH3:2])([CH3:3])[NH:4][C:5](=[O:6])[N:35]1[CH2:34][CH:33]([N:30]2[CH2:29][CH2:28][N:27]([C:25]([NH:24][c:21]3[n:20][c:19](-[c:17]4[c:16]([O:39][CH3:40])[cH:15][cH:14][c:13]([CH:7]5[CH2:8][CH2:9][CH2:10][CH2:11][CH2:12]5)[cH:18]4)[cH:23][s:22]3)=[O:26])[CH2:32][CH2:31]2)[CH2:38][CH2:37][CH2:36]1

Participants

5

Reactant 4

HCID 962WaterHCID 6344DichloromethaneHCID 61277Isopropyl isocyanateHCID 86626149HCID 86626149, compound

Product 1

HCID 23654235HCID 23654235, compound

Sources & evidence

ORD record
ord-006512d4ff6b4d5b8abc89f5a76429da
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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