Phenyl Isothiocyanate → HCID 86640127, compound

HRID 1201695Notes

Reaction equation

[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][N:8]([c:9]2[n:10][cH:11][c:12](-[c:15]3[c:16]4[c:17]([n:18][c:19]([N:21]5[CH2:22][CH2:23][O:24][CH2:25][CH2:26]5)[n:20]3)[NH:27][CH2:28][CH2:29]4)[cH:13][n:14]2)[CH2:30][c:31]2[cH:32][cH:33][c:34]([O:37][CH3:38])[cH:35][cH:36]2)[cH:39][cH:40]1.[NH2:50][C:51](=[S:52])[NH2:53].[c:41]1([N:47]=[C:48]=[S:49])[cH:42][cH:43][cH:44][cH:45][cH:46]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][N:8]([c:9]2[n:10][cH:11][c:12](-[c:15]3[c:16]4[c:17]([n:18][c:19]([N:21]5[CH2:22][CH2:23][O:24][CH2:25][CH2:26]5)[n:20]3)[N:27]([C:48]([NH:47][c:41]3[cH:42][cH:43][cH:44][cH:45][cH:46]3)=[S:49])[CH2:28][CH2:29]4)[cH:13][n:14]2)[CH2:30][c:31]2[cH:32][cH:33][c:34]([O:37][CH3:38])[cH:35][cH:36]2)[cH:39][cH:40]1

Participants

Reactant 3

HCID 7673Phenyl Isothiocyanate

HCID 2723790Thiourea

HCID 45258862Bis-(4-methoxybenzyl)-[5-(2-morpholin-4-yl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)-pyrimidin-2-yl]-amine

Product 1

HCID 86640127HCID 86640127, compound

Sources & evidence

ORD record: ord-fcd58e6cd58f44a2874b13ebdd02cf04
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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