Water → HCID 20227003, compound

HRID 2315378Notes

Reaction equation

HRID 2315378 reaction equation
[CH2:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH3:6])[CH:7]1[CH2:8][CH2:9][CH:10]([C:13](=[O:14])[O:15][c:16]2[cH:17][cH:18][c:19]([C:20](=[O:21])[Cl:22])[cH:23][cH:24]2)[CH2:11][CH2:12]1.[CH2:25]([CH2:26][CH2:27][CH2:28][CH2:29][CH3:30])[c:31]1[cH:32][n:33][c:34]([OH:37])[n:35][cH:36]1.[CH3:39][c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1.[OH2:38].[cH:46]1[cH:47][cH:48][n:49][cH:50][cH:51]1>>[CH2:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH3:6])[CH:7]1[CH2:8][CH2:9][CH:10]([C:13](=[O:14])[O:15][c:16]2[cH:17][cH:18][c:19]([C:20](=[O:21])[O:37][c:34]3[n:33][cH:32][c:31]([CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH3:30])[cH:36][n:35]3)[cH:23][cH:24]2)[CH2:11][CH2:12]1

Participants

6

Reactant 5

HCID 962WaterHCID 1049PyridineHCID 1140TolueneHCID 13628295HCID 13628295, compoundHCID 178442421HCID 178442421, compound

Product 1

HCID 20227003HCID 20227003, compound

Sources & evidence

ORD record
ord-dab9c1b7b450453b8a78038c2ad4f3eb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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