Water → HCID 9906973, compound

HRID 2161853Notes

Reaction equation

HRID 2161853 reaction equation
[CH3:26][N:27]1[CH2:28][CH2:29][CH2:30][C:31]1=[O:32].[CH:33]([N:34]([CH2:35][CH3:36])[CH:37]([CH3:38])[CH3:39])([CH3:40])[CH3:41].[Cl:1][c:2]1[c:3]2[c:4]([n:5][c:6]([S:8][CH2:9][c:10]3[cH:11][cH:12][cH:13][cH:14][cH:15]3)[n:7]1)[n:16][c:17]([NH2:19])[s:18]2.[NH2:20][CH:21]([CH2:22][OH:23])[CH2:24][CH3:25].[OH2:42]>>[c:2]1([NH:20][CH:21]([CH2:22][OH:23])[CH2:24][CH3:25])[c:3]2[c:4]([n:5][c:6]([S:8][CH2:9][c:10]3[cH:11][cH:12][cH:13][cH:14][cH:15]3)[n:7]1)[n:16][c:17]([NH2:19])[s:18]2

Participants

6

Reactant 5

HCID 962WaterHCID 13387N-methyl-2-pyrrolidoneHCID 221292-Amino-1-butanolHCID 81531DiisopropylethylamineHCID 112782745-(Benzylthio)-7-chloro[1,3]thiazolo[4,5-d]pyrimidin-2-amine

Product 1

HCID 9906973HCID 9906973, compound

Sources & evidence

ORD record
ord-4471cbb7145245869bc2c19df7515035
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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