Water → HCID 86601246, compound

HRID 143434Notes

Reaction equation

HRID 143434 reaction equation
[CH3:36][c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1.[CH3:5][O:6][C:7](=[O:8])[c:9]1[n:10][n:11][n:12]([CH2:20][c:21]2[cH:22][c:23]([C:31]([F:32])([F:33])[F:34])[cH:24][c:25]([C:27]([F:28])([F:29])[F:30])[cH:26]2)[c:13]1-[c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1.[NH2:1][CH2:2][CH2:3][NH2:4].[OH2:35]>>[NH:1]1[CH2:2][CH2:3][N:4]=[C:7]1[c:9]1[n:10][n:11][n:12]([CH2:20][c:21]2[cH:22][c:23]([C:31]([F:32])([F:33])[F:34])[cH:24][c:25]([C:27]([F:28])([F:29])[F:30])[cH:26]2)[c:13]1-[c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1

Participants

5

Reactant 4

HCID 962WaterHCID 1140TolueneHCID 3301EthylenediamineHCID 86601247HCID 86601247, compound

Product 1

HCID 86601246HCID 86601246, compound

Sources & evidence

ORD record
ord-107b2034f6c64216ae300e3ed5dd1e91
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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